1845-0036 Screening compound: (2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

1845-0036 Screening compound: (2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
1845-0036 Screening compound: (2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1845-0036
(2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1845-0036

Molecular Formula

C19H13ClN2S (C19 H13 ClN2 S)

Compound Name

(2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-(2-chlorophenyl)-2-[4-(4-methylphenyl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

Cc(cc1)ccc1-c1csc(/C(/C#N)=C/c(cccc2)c2Cl)n1

InChI

InChI=1S/C19H13ClN2S/c1-13-6-8-14(9-7-13)18-12-23-19(22-18)16(11-21)10-15-4-2-3-5-17(15)20/h2-10,12H,1H3

InChI Key

DDPDAKOMTQKLJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00395599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.278

Distribution Coefficient, logD

6.278

Water Solubility, LogSw

-6.38

Polar Surface Area

26.757

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1845-0036 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1845-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1845-0036?
Check Price and Availability of 1845-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1845-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1845-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1845-0036
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1845-0036 available by request